3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide

C18H13F3N2OS — CID 46686289

IUPAC3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H13F3N2OS/c19-13-5-3-12(4-6-13)16-10-25-18(22-16)23-17(24)8-2-11-1-7-14(20)15(21)9-11/h1,3-7,9-10H,2,8H2,(H,22,23,24)
InChIKeyYYEKVAVXKKUJGT-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.80
Rot. Bonds5

About 3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide

3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 46686289) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID46686289
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H13F3N2OS/c19-13-5-3-12(4-6-13)16-10-25-18(22-16)23-17(24)8-2-11-1-7-14(20)15(21)9-11/h1,3-7,9-10H,2,8H2,(H,22,23,24)
InChIKeyYYEKVAVXKKUJGT-UHFFFAOYSA-N
XLogP4.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
3-(4-fluorophenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32623275
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
[2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 8011216
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 134041781
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 2091152
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
3-(3-chloro-4-methylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 18267524
N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 25485702
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16592563

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide (CID 46686289) is 3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCc1ccc(F)c(F)c1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is YYEKVAVXKKUJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c19-13-5-3-12(4-6-13)16-10-25-18(22-16)23-17(24)8-2-11-1-7-14(20)15(21)9-11/h1,3-7,9-10H,2,8H2,(H,22,23,24).
What are the key properties of 3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 362.38 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 46686289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).